Drug Information

Drug General Information
Drug ID
D0LD0X
Former ID
DNC004200
Drug Name
1-Propyl-3,7-dihydro-purine-2,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526332]
Structure
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2D MOL

3D MOL
Formula
C8H10N4O2
Canonical SMILES
CCCN1C(=O)C2=C(NC1=O)N=CN2
InChI
1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)
InChIKey
IWBONKMODGBEOX-UHFFFAOYSA-N
PubChem Compound ID
128525
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [526332]
Adenosine A2b receptor Target Info Inhibitor [526332]
Adenosine A1 receptor Target Info Inhibitor [526332]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Alcoholismhsa04022:cGMP-PKG signaling pathway
cAMP signaling pathway
Sphingolipid signaling pathway
Morphine addiction
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Pathway Interaction Database C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
GPCR ligand binding
GPCR downstream signalingWP80:Nucleotide GPCRs
GPCR downstream signaling
References
Ref 526332J Med Chem. 2002 May 23;45(11):2131-8.Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions.
Ref 526332J Med Chem. 2002 May 23;45(11):2131-8.Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions.

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